Analyte Name

Estrone beta-D-Glucuronide Triacetate Methyl Ester

CAS Number

27537-72-0

Molecular Formula

C31H38O11

Molecular Weight

586.63

Accurate Mass

586.2414

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc3[C@H]4CC[C@@]5(C)[C@@H](CCC5=O)[C@@H]4CCc3c2)C(OC(=O)C)C(OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C31H38O11/c1-15(32)38-25-26(39-16(2)33)28(40-17(3)34)30(42-27(25)29(36)37-5)41-19-7-9-20-18(14-19)6-8-22-21(20)12-13-31(4)23(22)10-11-24(31)35/h7,9,14,21-23,25-28,30H,6,8,10-13H2,1-5H3/t21-,22-,23+,25+,26?,27+,28?,30-,31+/m1/s1

IUPAC

methyl (2S,3S,6S)-3,4,5-triacetyloxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat